N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine

C10H19N3 — CID 130347840

IUPACN-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine
SMILESC=C/N=C1\CN(C(C)C)CCN1C
InChIInChI=1S/C10H19N3/c1-5-11-10-8-13(9(2)3)7-6-12(10)4/h5,9H,1,6-8H2,2-4H3/b11-10+
InChIKeyGIIQZBNSCCCBOH-ZHACJKMWSA-N
MW181.28 g/mol
LogP1.18
Rot. Bonds2

About N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine

N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine (PubChem CID 130347840) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine.

Molecular Properties

Compound NameN-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine
PubChem CID130347840
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine
SMILESC=C/N=C1\CN(C(C)C)CCN1C
InChIInChI=1S/C10H19N3/c1-5-11-10-8-13(9(2)3)7-6-12(10)4/h5,9H,1,6-8H2,2-4H3/b11-10+
InChIKeyGIIQZBNSCCCBOH-ZHACJKMWSA-N
XLogP1.18
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine?
The IUPAC name of N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine (CID 130347840) is N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine.
What is the SMILES notation for N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine?
The canonical SMILES for N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine is C=C/N=C1\CN(C(C)C)CCN1C.
What is the InChIKey of N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine?
The InChIKey is GIIQZBNSCCCBOH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-11-10-8-13(9(2)3)7-6-12(10)4/h5,9H,1,6-8H2,2-4H3/b11-10+.
What are the key properties of N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine?
N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine has a molecular weight of 181.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine is sourced from PubChem (CID 130347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).